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Name |
Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione |
EINECS | 261-490-1 |
CAS No. | 58909-39-0 | Density | 1.62 g/cm3 |
PSA | 102.74000 | LogP | -0.86880 |
Solubility | N/A | Melting Point |
168-171 °C(lit.) |
Formula | C4H5N3O2S | Boiling Point | 272.3 °C at 760 mmHg |
Molecular Weight | 159.169 | Flash Point | 118.5 °C |
Transport Information | N/A | Appearance | white powder |
Safety | 36 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,5-Dihydro-6-Hydroxy-3-Mercapto-2-Methyl-5-oxo-1,2,4-Triazine ( TTZ , Thiotriazinone );2-Methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazine-3-thiol; |
Article Data | 7 |
2-methyl-thiosemicarbazide
oxalic acid diethyl ester
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
Conditions | Yield |
---|---|
With dmap; N,N,N,N,-tetramethylethylenediamine; sodium methylate In methanol; ethanol at 15 - 55℃; for 4h; Temperature; Solvent; Reagent/catalyst; | 92.7% |
With sodium methylate In methanol; dimethyl sulfoxide at 0 - 45℃; Solvent; | 91.6% |
Dimethyl oxalate
methylhydrazine
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
Conditions | Yield |
---|---|
Stage #1: ammonium thiocyanate; methylhydrazine In water at 95 - 100℃; Stage #2: Dimethyl oxalate With sodium methylate In methanol at 65 - 75℃; for 6h; Temperature; | 75% |
A
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
C
C14H13N5O6S2(2-)
Conditions | Yield |
---|---|
With Carbonate buffer at 37℃; Rate constant; H/D-isotopic effect were studied too; |
A
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
Conditions | Yield |
---|---|
With Carbonate buffer at 37℃; Rate constant; H/D-isotopic effect were studied too; |
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one
7-Aminocephalosporanic acid
Conditions | Yield |
---|---|
Stage #1: 2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine; 7-Aminocephalosporanic acid With carbonic acid dimethyl ester at 35℃; for 1h; Stage #2: 2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one for 0.166667h; Stage #3: With triethylamine at 10℃; for 4h; Concentration; Temperature; | 99.5% |
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
7-Aminocephalosporanic acid
7-aminoceftrizine
Conditions | Yield |
---|---|
With boron trifluoride dimethyl carbonate complex; methanesulfonic acid at 10 - 12℃; for 0.383333h; Reagent/catalyst; | 95.1% |
With boron trifluoride dimethyl carbonate complex; edetate disodium at 30℃; for 0.833333h; Time; | 90% |
With boron trifluoride In acetonitrile at 10 - 30℃; for 0.5h; | 85.71% |
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
7-Aminocephalosporanic acid
7-amino-3-[(2,5-dihydro-6-hydroxy-2-methyl-5-oxo-1,2,4-triazine-3-mercapto)methyl]-3 cephalosporin-4-carboxylic acid
Conditions | Yield |
---|---|
With aluminum (III) chloride; boron trifluoride; carbonic acid dimethyl ester at 5 - 30℃; for 1h; | 92% |
With aluminum (III) chloride; boron trifluoride; carbonic acid dimethyl ester at 5 - 30℃; for 1h; Reagent/catalyst; | 90% |
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
7α-methoxy-8-oxo-2-(pyrrolidinocarbonyl)-3-(chloromethyl)-5-thia-1-azabicyclo<4.2.0>oct-2-ene 5,5-dioxide
L-659,286
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water; acetone for 16h; Ambient temperature; | 85% |
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
fipronilβ-cyclodextrin
Conditions | Yield |
---|---|
In water at 30℃; for 24.5h; | 83% |
2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine
1,1-dimethylethyl 3-(chloromethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 5,5-dioxide
1,1-dimethylethyl 7α-methoxy-3-{[(1,2,5,6-tetrahydro-5,6-dioxo-2-methyl-as-triazin-3-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water; acetone | 80% |
The Molecular Structure of Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione (CAS NO.58909-39-0):
Empirical Formula: C4H5N3O2S
Molecular Weight: 159.1664
IUPAC: 2-methyl-3-sulfanylidene-1,2,4-triazinane-5,6-dione
Product Categories: Building Blocks;Heterocyclic Building Blocks;Triazines
Nominal Mass: 159 Da
Average Mass: 159.1664 Da
Monoisotopic Mass: 159.010246 Da
Index of Refraction: 1.678
Molar Refractivity: 37.04 cm3
Molar Volume: 98.1 cm3
Surface Tension: 87.6 dyne/cm
Density: 1.62 g/cm3
Flash Point: 118.5 °C
Enthalpy of Vaporization: 59.28 kJ/mol
Boiling Point: 272.3 °C at 760 mmHg
Vapour Pressure: 0.000795 mmHg at 25°C
InChI
InChI=1/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)
Smiles
[nH]1c(n(C)[nH]c(c1=O)=O)=S
Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione (CAS NO.58909-39-0) can be used as intermediates of ceftriaxone, ceftriaxone sodium, etc. drugs.
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 36
S36:Wear suitable protective clothing
WGK Germany: 3
Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione (CAS NO.58909-39-0) is also called as EINECS 261-490-1 .